B2I
Summary
| Name: | ISOLEUCINE BORONIC ACID |
| Formula: | C5 H14 B N O2 |
| Formal charge: | 0 |
| Formula weight: | 130.981 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R,2R)-1-amino-2-methylbutyl]boronic acid |
| OpenEye OEToolkits | 1.7.0 | [(1R,2R)-1-azanyl-2-methyl-butyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OB(O)C(N)C(C)CC |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@@H](C)[C@H](N)B(O)O |
| SMILES | CACTVS | 3.370 | CC[CH](C)[CH](N)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | B([C@H]([C@H](C)CC)N)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | B(C(C(C)CC)N)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H14BNO2/c1-3-4(2)5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t4-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | LCXREPGPURBYPC-UHNVWZDZSA-N |
